SCHEMBL8530232

SCHEMBL8530232

Cc1ccc(N=C(Nc2ccc(C)cc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
ALDH1A1 P00352 3/20 0.48
ALOX12 P18054 1/20 0.48
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8530229 1.00 GLA (0.58) GLACACNA1BAPBA1RAB9ANPC1
SCHEMBL8533350 0.95 GLA (0.54) GLACACNA1BAPBA1RAB9ANPC1
SCHEMBL8533352 0.95 GLA (0.54) GLACACNA1BAPBA1RAB9ANPC1
SCHEMBL8533346 0.95 GLA (0.54) GLACACNA1BAPBA1RAB9ANPC1
SCHEMBL9804164 0.92 ALDH1A1 (0.51) GLACACNA1BAPBA1RAB9ANPC1
SCHEMBL9804158 0.92 ALDH1A1 (0.51) GLACACNA1BAPBA1RAB9ANPC1
SCHEMBL9804110 0.91 CYP2D6 (0.54) GLACACNA1BAPBA1RAB9ANPC1
SCHEMBL3069353 0.91 CYP2D6 (0.54) GLACACNA1BAPBA1RAB9ANPC1
SCHEMBL8532449 0.87 GLA (0.47) GLACACNA1BAPBA1RAB9ANPC1
SCHEMBL9804154 0.86 KMT2A (0.68) GLACACNA1BAPBA1RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834058-A Organometallic complexes of aluminium, gallium and indium THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1998-11-10 US claimed
EP-0712409-B1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM ASS OCTEL (GB) 1998-10-28 EP claimed
EP-0712409-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1996-05-22 EP claimed
WO-1995004063-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1995-02-09 WO claimed
US-5834058-A Organometallic complexes of aluminium, gallium and indium THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1998-11-10 US disclosed
EP-0712409-B1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM ASS OCTEL (GB) 1998-10-28 EP disclosed
EP-0712409-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1996-05-22 EP disclosed
WO-1995004063-A1 ORGANOMETALLIC COMPLEXES OF ALUMINIUM, GALLIUM AND INDIUM THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1995-02-09 WO disclosed
EP-0153616-B1 HEAT-SENSITIVE RECORDING MATERIALS KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-04-03 EP disclosed
US-4652512-A DIAZONIUM COMPOUND KANZAKI PAPER MANUFACTURING COMPANY, LIMITED (JP) 1987-03-24 US disclosed
EP-0153616-A2 Heat-sensitive recording materials KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1985-09-04 EP disclosed